Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004796
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article11 compound
IUPAC Name1-{4-[(1r,4r)-4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]piperazin-1-yl}ethan-1-one
FormulaC32H37N9O2
Mass579.6953
Exact Mass579.3070215
Composition C (66.3%), H (6.43%), N (21.75%), O (5.52%)
Atom Count80
PI9.97
Smilesc1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCN(CC1)C(=O)C)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N
InChI1S/C32H37N9O2/c1-20(42)39-13-15-40(16-14-39)23-8-10-24(11-9-23)41-32-29(31(33)34-19-35-32)30(38-41)2
2-7-12-25-26(17-22)37-28(36-25)18-21-5-3-4-6-27(21)43-2/h3-7,12,17,19,23-24H,8-11,13-16,18H2,1-2H3,(
H,36,37)(H2,33,34,35)/t23-,24-
InChIKeyPXOJXTKZVIEYLV-RQNOJGIXSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference19217287
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF-IR |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335505
ChEMBL Link CHEMBL452717
 
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